(3S)-N-[2,6-bis(chloranyl)-3-methyl-phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[2,6-bis(chloranyl)-3-methyl-phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(2,6-dichloro-3-methyl-phenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(2,6-dichloro-3-methylphenyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(2,6-dichloro-3-methylphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(2,6-dichloro-3-methyl-phenyl)piperidin-1-ium-3-carboxamide Formula: C13H17Cl2N2O+ MolecularWeight: 288.19288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Cl)NC(=O)C2CCC[NH2+]C2)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)Cl)NC(=O)[C@H]2CCC[NH2+]C2)Cl

InChI

InChI=1S/C13H16Cl2N2O/c1-8-4-5-10(14)12(11(8)15)17-13(18)9-3-2-6-16-7-9/h4-5,9,16H,2-3,6-7H2,1H3,(H,17,18)/p+1/t9-/m0/s1